Monomers

3-Methylidene-1-propylpyrrolidine-2,5-dione

Identifiers

IUPAC name
3-methylidene-1-propylpyrrolidine-2,5-dione
InchI
InChI=1S/C8H11NO2/c1-3-4-9-7(10)5-6(2)8(9)11/h2-5H2,1H3
InchI Key
VGUAXHLGHHWMAJ-UHFFFAOYSA-N
SMILES
CCCN1C(=O)CC(=C)C1=O
Canonical SMILES
CCCN1C(=O)CC(=C)C1=O
Isomeric SMILES
CCCN1C(=O)CC(=C)C1=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H11NO2
Heavy Atom Count
11
Molecular Weight
153.181
Exact Molecular Weight
153.079
Valence Electrons
60
Radical Electrons
0
tPSA
37.38
MolLogP
0.7115
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 22 22  0  0  0  0  0  0  0  0999 V2000
   -3.5211    0.0218   -0.0973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0858    0.2803   -0.5008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2105   -0.4945    0.4867 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1872   -0.3155    0.1900 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9464   -1.1472   -0.6829 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5037   -2.1026   -1.3712 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3678   -0.7270   -0.6733 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3840    0.5013    0.1336 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4477    1.2895    0.3088 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0620    0.6890    0.6878 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7378    1.6028    1.4885 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5708   -0.2739    0.9793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9012   -0.8479   -0.6787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1829    0.8794   -0.3272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8268    1.3564   -0.4499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9107   -0.1632   -1.4896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4890   -1.5705    0.3443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4682   -0.1313    1.5084 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7819   -0.6038   -1.6906 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9839   -1.4980   -0.1608 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3807    2.1882    0.9248 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3838    1.0667   -0.1430 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  3
  8 10  1  0
 10 11  2  0
 10  4  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  2 16  1  0
  3 17  1  0
  3 18  1  0
  7 19  1  0
  7 20  1  0
  9 21  1  0
  9 22  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers